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Information card for entry 7245199
Preview
| Coordinates | 7245199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3.65 H16.27 Br0.21 N0.22 O9.66 |
|---|---|
| Calculated formula | C4.25 H18.9088 Br0.218475 N0.25 O9.696 |
| Title of publication | Designing the structure and relevant properties of semiclathrate hydrates by partly asymmetric alkylammonium salts |
| Authors of publication | Muromachi, Sanehiro; Kida, Masato; Morimoto, Masato; Yamane, Shogo; Takeya, Satoshi |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2022 |
| a | 21.0695 ± 0.001 Å |
| b | 12.6077 ± 0.0006 Å |
| c | 12.0415 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3198.7 ± 0.3 Å3 |
| Cell temperature | 90 ± 0.16 K |
| Ambient diffraction temperature | 90 ± 0.16 K |
| Number of distinct elements | 5 |
| Space group number | 51 |
| Hermann-Mauguin space group symbol | P m m a |
| Hall space group symbol | -P 2a 2a |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1549 |
| Weighted residual factors for all reflections included in the refinement | 0.1639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276878 (current) | 2022-07-23 | cif/ Adding structures of 7245198, 7245199 via cif-deposit CGI script. |
7245199.cif |
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